5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

C9H10FN5S — CID 80887976

IUPAC5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nccn2C)n1
InChIInChI=1S/C9H10FN5S/c1-11-8-13-5-6(10)7(14-8)16-9-12-3-4-15(9)2/h3-5H,1-2H3,(H,11,13,14)
InChIKeyBWSHTOBVKHDAQX-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.54
Rot. Bonds3

About 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80887976) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80887976
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nccn2C)n1
InChIInChI=1S/C9H10FN5S/c1-11-8-13-5-6(10)7(14-8)16-9-12-3-4-15(9)2/h3-5H,1-2H3,(H,11,13,14)
InChIKeyBWSHTOBVKHDAQX-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~4~-methyl-N~2~-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 50950039
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72887542
5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
CID 75483060
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[(1-propyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 72906183
2-Chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
CID 79075592
5-fluoro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753849
2-N-ethyl-5-fluoro-4-N-(3-imidazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 80753851
5-fluoro-4-N-(3-imidazol-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80753931
2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80803347
5-fluoro-4-N-(2-imidazol-1-ylethyl)-2-N-methylpyrimidine-2,4-diamine
CID 80809044
5-fluoro-4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809137
5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80815821

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (CID 80887976) is 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is CNc1ncc(F)c(Sc2nccn2C)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is BWSHTOBVKHDAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c1-11-8-13-5-6(10)7(14-8)16-9-12-3-4-15(9)2/h3-5H,1-2H3,(H,11,13,14).
What are the key properties of 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).